1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
|
C2x
---
This program should convert CASTEP's .check, .castep_bin, orbitals and
.cell to various other formats, particularly so that they can be
visualised with Jmol (http://www.jmol.org), XCrysDen
(http://www.xcrysden.org), gnuplot and other programs. It can extract
charge and spin densities, wavefunctions, symmetry operations, and
much else besides. It also interfaces with Abinit, Quantum Espresso, Siesta,
VASP, and other electronic structure codes. Examples of c2x's use
can be found at http://www.c2x.org.uk/ and further documentation is in
the included man page (c2x.1).
The code can also manipulate .cell and .pdb files, building supercells,
performing shifts, adding vacuum and rolling nanotubes.
Assuming it has been linked with the spglib library, it can also
provide the symmetry analysis functions of spglib.
The code is released under version 3 of the GPL, a copy of which
should be in the accompanying "LICENCE" file. There is no warranty or
statement that the code is fit for anything. The author is unware that
any person or organisation other than himself has any claim on any IPR
in the code.
The code should build easily if one sets CFLAGS and CC in the Makefile
correctly. Further instructions are in the INSTALL file.
MJR 8/2007--11/2020
|
